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CAS 1211540-79-2 1H-Pyrrolo[3,2-b]pyridine, 2,3-dihydro- molecular structure lightbox
CAS RN: 1211540-79-2

1H-Pyrrolo[3,2-b]pyridine, 2,3-dihydro-

  • Product code: SSC-022736
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211540-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1211540-79-2 / 2,3-dihydro-1H-pyrrolo[3,2-b]pyridine

1H,2H,3H-pyrrolo[3,2-b]pyridine | 1H,2H,3H-pyrrolo(3,2-b)pyridine | RefChem:437715

Standard CAS: 1211540-79-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211540-79-2
Multi CAS
No
Molecular Formula
C7H8N2
Molecular Weight
120.150000
Exact Mass
120.068748
SMILES
C1CNC2=C1N=CC=C2
InChI
InChI=1S/C7H8N2/c1-2-6-7(8-4-1)3-5-9-6/h1-2,4,9H,3,5H2
InChIKey
JKWQHCSGMTWRIQ-UHFFFAOYSA-N
Synonyms
1H,2H,3H-pyrrolo[3,2-b]pyridine 1H,2H,3H-pyrrolo(3,2-b)pyridine RefChem:437715 837-272-2 2,3-dihydro-1H-pyrrolo[3,2-b]pyridine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.43
TPSA
24.92

LogP / Solubility

WLOGP
1.05
MLOGP
0.91
XLogP3
0.9
Consensus LogP
0.95
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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